CID 145912872

2377034-99-4

Structural Information

Molecular Formula
C7H10O2
SMILES
C1COCC2C1C2C=O
InChI
InChI=1S/C7H10O2/c8-3-6-5-1-2-9-4-7(5)6/h3,5-7H,1-2,4H2
InChIKey
GPSFQOOKZONXJA-UHFFFAOYSA-N
Compound name
3-oxabicyclo[4.1.0]heptane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.0
[M+Na]+ 149.05730 134.6
[M-H]- 125.06080 131.1
[M+NH4]+ 144.10190 142.3
[M+K]+ 165.03124 134.0
[M+H-H2O]+ 109.06534 119.4
[M+HCOO]- 171.06628 145.4
[M+CH3COO]- 185.08193 174.4
[M+Na-2H]- 147.04275 133.6
[M]+ 126.06753 127.0
[M]- 126.06863 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.